BDBM50268010 CHEMBL4098896
SMILES: COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F
InChI Key: InChIKey=NZJCXRPMZJGVCC-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Mixed lineage kinase 7 (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Binding affinity to partial length human MEK5 expressed in HEK293 cells by active-site-dependent competition assay | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase SIK1 (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Binding affinity to partial length human SIK expressed in Escherichia coli BL21 by active-site-dependent competition assay | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Srms (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Binding affinity to partial length human SRMS expressed in HEK293 cells by active-site-dependent competition assay | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Binding affinity to partial length human AURKB expressed in HEK293 cells by active-site-dependent competition assay | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Binding affinity to partial length human KIT expressed in Escherichia coli BL21 by active-site-dependent competition assay | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase FRK (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Binding affinity to partial length human FRK expressed in Escherichia coli BL21 by active-site-dependent competition assay | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mixed lineage kinase 7 (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Binding affinity to partial length human ZAK expressed in Escherichia coli BL21 by active-site-dependent competition assay | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM50268010 (CHEMBL4098896) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL | Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1... | J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V | |||||||||||
More data for this Ligand-Target Pair |